SCHEMBL9703315

SCHEMBL9703315

NNc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.57
CA1 P00915 5/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
KIF11 P52732 2/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9303979 0.81 CA2 (0.50) CA2CA1CA12CA9KIF11
SCHEMBL13348599 0.79 KIF11 (0.61) CA2CA1CA12CA9KIF11
SCHEMBL4800836 0.79 KIF11 (0.53) CA2CA1CA12CA9KIF11
SCHEMBL11774825 0.78 CA2 (0.47) CA2CA1CA12CA9KIF11
SCHEMBL2477062 0.77 CA2 (0.53) CA2CA1CA12CA9KIF11
SCHEMBL10294703 0.76 KIF11 (0.57) CA2CA1CA12CA9KIF11
SCHEMBL9083215 0.76 KIF11 (0.68) CA2CA1CA12CA9KIF11
SCHEMBL5536768 0.76 KIF11 (0.71) CA2CA1CA12CA9KIF11
Hydrochloric Acid SCHEMBL3175332 0.76 CA2 (0.51) CA2CA1CA12CA9KIF11
SCHEMBL6849852 0.76 CA2 (0.57) CA2CA1CA12CA9KIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060549-B1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAE WOONG PHARMA (KR) 2019-02-13 EP disclosed
CN-105745193-B Antimycotic oxo-dihydro pyridine carbohydrazide derivative 株式会社大熊制药 2017-12-01 CN disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US disclosed
EP-3060549-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-31 EP disclosed
CN-105745193-A Novel antifungal oxodihydropyridinecarbohydrazide derivative 株式会社大熊制药 2016-07-06 CN disclosed
WO-2015060613-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-30 WO disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
WO-2013106254-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-07-18 WO disclosed
US-5109036-A With alkysulfonylphenylhydrazine accelerator; storage stability CECA, S.A. (FR) 1992-04-28 US disclosed
EP-0443916-A1 Anaerobically curing adhesive compositions CECA S.A. (FR) 1991-08-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE PITHD1, HPD, QDPR CA2 649/4885CA1 2143/4885CA12 710/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.